methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate

C16H27NO3 — CID 106828161

IUPACmethyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1(C)CCCCC1
InChIInChI=1S/C16H27NO3/c1-16(9-5-3-6-10-16)15(19)17-11-7-4-8-13(17)12-14(18)20-2/h13H,3-12H2,1-2H3
InChIKeyATEWWUYMEINJBR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate

methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate (PubChem CID 106828161) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
PubChem CID106828161
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namemethyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1(C)CCCCC1
InChIInChI=1S/C16H27NO3/c1-16(9-5-3-6-10-16)15(19)17-11-7-4-8-13(17)12-14(18)20-2/h13H,3-12H2,1-2H3
InChIKeyATEWWUYMEINJBR-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(chloromethyl)piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828939
methyl 2-[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-2-yl]acetate
CID 82768133
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-2-yl]acetate
CID 61010521
methyl 2-[1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidin-2-yl]acetate
CID 61009428
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
CID 115426493
CID 87065582
CID 87065582

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate (CID 106828161) is methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C1(C)CCCCC1.
What is the InChIKey of methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate?
The InChIKey is ATEWWUYMEINJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(9-5-3-6-10-16)15(19)17-11-7-4-8-13(17)12-14(18)20-2/h13H,3-12H2,1-2H3.
What are the key properties of methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate has a molecular weight of 281.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-methylcyclohexanecarbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 106828161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).